(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

C16H25N3O2 — CID 124946791

IUPAC(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2ccccn2)CCCN(CCO)C1
InChIInChI=1S/C16H25N3O2/c17-15(21)16(8-4-10-19(13-16)11-12-20)7-3-6-14-5-1-2-9-18-14/h1-2,5,9,20H,3-4,6-8,10-13H2,(H2,17,21)/t16-/m1/s1
InChIKeyCAXBORFFQYJRFC-MRXNPFEDSA-N
MW291.39 g/mol
LogP0.96
Rot. Bonds7

About (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 124946791) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID124946791
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESNC(=O)[C@]1(CCCc2ccccn2)CCCN(CCO)C1
InChIInChI=1S/C16H25N3O2/c17-15(21)16(8-4-10-19(13-16)11-12-20)7-3-6-14-5-1-2-9-18-14/h1-2,5,9,20H,3-4,6-8,10-13H2,(H2,17,21)/t16-/m1/s1
InChIKeyCAXBORFFQYJRFC-MRXNPFEDSA-N
XLogP0.96
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (CID 124946791) is (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is NC(=O)[C@]1(CCCc2ccccn2)CCCN(CCO)C1.
What is the InChIKey of (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is CAXBORFFQYJRFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-15(21)16(8-4-10-19(13-16)11-12-20)7-3-6-14-5-1-2-9-18-14/h1-2,5,9,20H,3-4,6-8,10-13H2,(H2,17,21)/t16-/m1/s1.
What are the key properties of (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 124946791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).